1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea

C12H17N3O — CID 117235800

IUPAC1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2CNC2)cc1
InChIInChI=1S/C12H17N3O/c1-9-2-4-11(5-3-9)15-12(16)14-8-10-6-13-7-10/h2-5,10,13H,6-8H2,1H3,(H2,14,15,16)
InChIKeyDDWPILBLZRJPND-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.34
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea

1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea (PubChem CID 117235800) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea
PubChem CID117235800
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2CNC2)cc1
InChIInChI=1S/C12H17N3O/c1-9-2-4-11(5-3-9)15-12(16)14-8-10-6-13-7-10/h2-5,10,13H,6-8H2,1H3,(H2,14,15,16)
InChIKeyDDWPILBLZRJPND-UHFFFAOYSA-N
XLogP1.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563054
1-(4-methylphenyl)-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 47455465
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
1-(4-methylphenyl)-3-[[1-(piperidine-4-carbonyl)piperidin-3-yl]methyl]urea
CID 119310828
1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 40913151
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea
CID 82733939
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea (CID 117235800) is 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC2CNC2)cc1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea?
The InChIKey is DDWPILBLZRJPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-2-4-11(5-3-9)15-12(16)14-8-10-6-13-7-10/h2-5,10,13H,6-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea?
1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea has a molecular weight of 219.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 117235800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).